6F9U
Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat-Asp.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.316, 85.861, 133.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.173 - 1.900 |
| R-factor | 0.1693 |
| Rwork | 0.167 |
| R-free | 0.20880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o8a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.848 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.860 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 51795 | 3303 |
| <I/σ(I)> | 9.3 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 25 | 21.7 |
| CC(1/2) | 0.997 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 289 | 0.1 M MIB Buffer pH 4.0, 5% Glycerol, 15% PEG 3350 |
